1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one

C12H15N3O5 — CID 42928816

IUPAC1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one
SMILESCC1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1
InChIInChI=1S/C12H15N3O5/c1-9-6-13(4-5-20-9)12(17)8-14-7-10(15(18)19)2-3-11(14)16/h2-3,7,9H,4-6,8H2,1H3
InChIKeyKQPNHJQILYQUTQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.00
Rot. Bonds3

About 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one

1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one (PubChem CID 42928816) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one
PubChem CID42928816
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one
SMILESCC1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1
InChIInChI=1S/C12H15N3O5/c1-9-6-13(4-5-20-9)12(17)8-14-7-10(15(18)19)2-3-11(14)16/h2-3,7,9H,4-6,8H2,1H3
InChIKeyKQPNHJQILYQUTQ-UHFFFAOYSA-N
XLogP0.00
TPSA94.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-1-[2-oxo-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethyl]pyridin-2-one
CID 95344927
N-[1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]acetamide
CID 60513578
1-[(2R)-2-methylmorpholin-4-yl]-2-[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone
CID 95383366
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7467861
(3aS,7aS)-2-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120629154
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180
1-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119356458
1-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitropyridin-2-one
CID 55402210
2-(4-hydroxy-3-methylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 114681420
2-(azepan-1-yl)-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94823036
2-(azepan-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074710
5-nitro-1-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55733147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one?
The IUPAC name of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one (CID 42928816) is 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one.
What is the SMILES notation for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one?
The canonical SMILES for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one is CC1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCO1.
What is the InChIKey of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one?
The InChIKey is KQPNHJQILYQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-9-6-13(4-5-20-9)12(17)8-14-7-10(15(18)19)2-3-11(14)16/h2-3,7,9H,4-6,8H2,1H3.
What are the key properties of 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one?
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one has a molecular weight of 281.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-5-nitropyridin-2-one is sourced from PubChem (CID 42928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).